| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 11 | Yes |
Popular Name: 7-Methyl-1,2,3,4-tetrahydroisoquinoline 7-Methyl-1,2,3,4-tetrahydroisoqu…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 207451-81-8 , 41565-82-6 , [207451-81-8] , [41565-82-6]
7-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
7-Methyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride
7-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINEHYDROCHLORIDE
7-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
7-Methyl-1,2,3,4-tetrahydroisoquinolinehydrochloride
Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-, hydrochloride (1:1)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.91 | 5.24 | -40.89 | 2 | 1 | 1 | 17 | 148.229 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 222 - 224 | Enamine Building Blocks |
| MP | 222...224 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 360 | 0.82 | Binding ≤ 10μM |
| ADA2B-4-E | Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 360 | 0.82 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 360 | 0.82 | Binding ≤ 10μM |
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2700 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 360 | 0.82 | Binding ≤ 10μM |
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 2000 | 0.73 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
